CAS RN: 1421020-28-1
(S)-2-(pyrrolidin-3-yloxy)pyridine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260617 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1421020-28-1
- Purity/Analytical Methods: >99.0%
1421020-28-1 / 2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
Basic Information
CAS
1421020-28-1
Multi CAS
No
Molecular Formula
C9H13ClN2O
Molecular Weight
200.660000
Exact Mass
200.071641
SMILES
C1CNC[C@H]1OC2=CC=CC=N2.Cl
InChI
InChI=1S/C9H12N2O.ClH/c1-2-5-11-9(3-1)12-8-4-6-10-7-8;/h1-3,5,8,10H,4,6-7H2;1H/t8-;/m0./s1
InChIKey
URBLMFJCTSBARA-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.39
TPSA
34.15
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
1.24
Consensus LogP
1.19
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1421033-13-7 {(S)-1-[(6-Chloro-pyridin-3-ylMethyl)-Methyl-carbaMoyl]-ethyl}-carbaMic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1421033-13-7.gif)
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